SCHEMBL17950737

SCHEMBL17950737

NCCCCn1cnc2cc(Br)ccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
TNF P01375 1/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20786946 0.82 LMNA (0.48) MAPK1TNFLMNAMEN1KMT2A
SCHEMBL6920364 0.82 LMNA (0.49) MAPK1TNFLMNAMEN1KMT2A
SCHEMBL4539817 0.81 HTR1A (0.50) MAPK1LMNAMEN1KMT2AL3MBTL1
SCHEMBL29025444 0.78 LMNA (0.46) MAPK1TNFLMNAMEN1KMT2A
SCHEMBL6921490 0.78 LMNA (0.54) MAPK1TNFLMNAMEN1KMT2A
SCHEMBL20809184 0.78 LMNA (0.46) MAPK1TNFLMNAMEN1KMT2A
SCHEMBL20786926 0.78 MAPT (0.46) MAPK1TNFLMNAMEN1KMT2A
SCHEMBL20786939 0.77 RAB9A (0.54) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1500289 0.76 L3MBTL1 (0.48) MAPK1LMNAMEN1KMT2AL3MBTL1
SCHEMBL28488309 0.76 KMT2A (0.45) MEN1KMT2AHDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116058-A1 TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF 华东理工大学 2016-07-28 WO disclosed